ergo
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#include <basisinfo.h>
Public Attributes | |
ergo_real | coeff |
Coefficient A. More... | |
ergo_real | exponent |
exponent alfa More... | |
ergo_real | extent |
ergo_real | centerCoords [3] |
x0, y0, z0 More... | |
char | monomialInts [4] |
nx, ny, nz More... | |
ergo_real DistributionSpecStruct::centerCoords[3] |
x0, y0, z0
Referenced by BuildRhoTreeBranch(), compute_integral_over_box(), compute_multipole_moments(), compute_operator_matrix_sparse(), create_branches(), create_list_of_multipoles_for_box(), do_1e_repulsion_integral_derivatives_using_symb_info(), do_1e_repulsion_integral_using_symb_info_h(), do_2e_integral_using_symb_info_h(), do_interaction_recursive(), do_interaction_recursive_2(), generate_multipoles_for_groups(), get_distribution_box(), get_product_simple_prims(), get_simple_primitives(), and organize_distributions().
ergo_real DistributionSpecStruct::coeff |
Coefficient A.
Referenced by BuildRhoTree(), compute_extent_for_all_basis_funcs_1el(), compute_extent_for_all_basis_funcs_core(), compute_integral_of_simple_prim(), compute_integral_over_box(), compute_multipole_moments(), compute_operator_matrix_sparse(), create_list_of_multipoles_for_box(), do_1e_repulsion_integral_derivatives_using_symb_info(), do_1e_repulsion_integral_using_symb_info_h(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), do_derivative_of_simple_prim(), do_interaction_recursive(), do_interaction_recursive_2(), generate_multipoles_for_groups(), get_basis_func_extent_list(), get_density(), get_distribution_box(), ExponentList::get_list_of_available_exponents(), get_list_of_distrs_for_V(), get_max_basis_func_abs_value(), get_no_of_primitives_for_density(), get_product_distrs(), get_product_simple_prims(), get_simple_primitives(), organize_distributions(), and simplePrimTintegral().
ergo_real DistributionSpecStruct::exponent |
exponent alfa
Referenced by BuildRhoTree(), compute_extent_for_all_basis_funcs_1el(), compute_extent_for_all_basis_funcs_core(), compute_integral_of_simple_prim(), compute_integral_over_box(), compute_V_and_gradient_linear(), create_list_of_multipoles_for_box(), do_1e_repulsion_integral_derivatives_using_symb_info(), do_1e_repulsion_integral_using_symb_info_h(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), do_derivative_of_simple_prim(), do_interaction_recursive(), do_interaction_recursive_2(), do_merge_sort_distrs(), generate_multipoles_for_groups(), get_basis_func_extent_list(), get_distribution_box(), ExponentList::get_list_of_available_exponents(), get_list_of_distrs_for_V(), get_product_simple_prims(), get_simple_primitives(), and organize_distributions().
ergo_real DistributionSpecStruct::extent |
char DistributionSpecStruct::monomialInts[4] |
nx, ny, nz
Referenced by compute_integral_of_simple_prim(), compute_integral_over_box(), compute_multipole_moments(), compute_operator_matrix_sparse(), create_list_of_multipoles_for_box(), do_1e_repulsion_integral_derivatives_using_symb_info(), do_1e_repulsion_integral_using_symb_info_h(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), do_derivative_of_simple_prim(), do_interaction_recursive(), do_interaction_recursive_2(), do_merge_sort_distrs(), generate_multipoles_for_groups(), get_largest_simple_integral(), get_product_simple_prims(), and organize_distributions().